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Ask your administrator if you think this is wrong. ====== Docetaxel 0.001 to 0.002μM on day4 R04 exp159 ====== ==== Mechanism of Action ==== Inihibts microtubule depolymerization, semi-synthetic analog of the paclitaxel * **<color #00a2e8>Class / Subclass 1:</color>** Cell Cycle / Microtubule Poison * **<color #00a2e8>Class / Subclass 2:</color>** Organelle Function / Cytoskeletal Inhibitor ==== Technical Notes ==== <accordion collapsed='true'> <panel title='Compound References' collapsed='true'> * **<color #00a2e8>PubChem Name:</color>** %%Docetaxel%% * **<color #00a2e8>Synonyms:</color>** RP-56976 * **<color #00a2e8>CAS #:</color>** 114977-28-5 * **<color #00a2e8>PubChem CID:</color>** [[https://pubchem.ncbi.nlm.nih.gov/compound/148124|148124]] * **<color #00a2e8>IUPAC:</color>** %%[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate%% * **<color #00a2e8>INCHI Name:</color>** InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1 * **<color #00a2e8>INCHI Key:</color>** ZDZOTLJHXYCWBA-VCVYQWHSSA-N * **<color #00a2e8>Molecular Weight:</color>** 807.9 * **<color #00a2e8>Canonical SMILES:</color>** CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O * **<color #00a2e8>Isomeric SMILES:</color>** CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O * **<color #00a2e8>Molecular Formula:</color>** C43H53NO14 {{:chemogenomics:structures:chem-0025.svg?nolink}} </panel> <panel title='Compound Supplier' collapsed='true'> * **<color #00a2e8>Supplier Name:</color>** Abcam * **<color #00a2e8>Catalog #:</color>** AB141248 * **<color #00a2e8>Lot #:</color>** N/A </panel> <panel title='Compound Characterization' collapsed='true'> * **<color #00a2e8>HRMS (ESI-TOF) m/z:</color>** (M+Na)+ Calcd for C43H53NO14 830.33583; found 830.33216 </panel> <panel title='Dose Response Curve' collapsed='true'> * **<color #00a2e8>Platform ID:</color>** Docetaxel * **<color #00a2e8>Min:</color>** -5.4973; **<color #00a2e8>Max:</color>** 89.2431 {{:chemogenomics:dose_response:dr_210.png?nolink&500 |}} \\ \\ \\ \\ |< 300px 100px 200px >| ^ IC ^ Concentration (µM) ^ | IC10 |N/A | | IC20 |0.0008 | | IC30 |0.0010 | | IC40 |0.0013 | | IC50 |0.0016 | | IC60 |N/A | | IC70 |N/A | | IC80 |N/A | | IC90 |N/A | \\ </panel> </accordion> ==== Screen Summary ==== * **<color #00a2e8>Round</color>**: 04 * **<color #00a2e8>Dose</color>**: 0.001-0.002µM * **<color #00a2e8>Days of incubation</color>**: 8 * **<color #00a2e8>Doublings</color>**: 6.8 * **<color #00a2e8>Numbers of reads</color>**: 24476296 ==== Screen Results ==== ^Sensitive/Resistant hits (FDR<0.05)^CRANKS^Score Plot^Top 30 Genes^Screen Similarity^Top 30 Sensitive GO terms^Top 30 Resistant GO terms^ |11/0|<color #e85500>[[https://files.tyerslab.com/files/public/chemogenomics/cranks/Docetaxel_0.001-0.002day4uM_Round-4_exp159.txt|Scores]]</color>|<button type="primary" size="sm" modal="ScorePlot">View</button>|<button type="primary" size="sm" modal="modal_hits">View</button>|<button type="primary" size="sm" modal="modal_screen_similarity">View</button>|<button type="default" size="sm" modal="modal_go_sensitive">View</button>|<button type="primary" size="sm" modal="modal_go_resistant">View</button>| <modal id='ScorePlot' size='lg' title='Docetaxel 0.001 to 0.002μM on day4 R04 exp159'> {{:chemogenomics:cranks_plots:exp159.png?nolink}} </modal> <modal id="modal_hits" size="sm" title="Top 30 S/R Genes"> ^Gene^CRANKS Score^FDR^ |[[:human_genes:K:KATNA1|KATNA1]]|-4.54|<0.01| |[[:human_genes:G:GNA13|GNA13]]|-3.12|<0.01| |[[:human_genes:G:GAK|GAK]]|-3.03|<0.01| |[[:human_genes:N:NPRL3|NPRL3]]|-2.97|0.02| |[[:human_genes:K:KIF2A|KIF2A]]|-2.89|<0.01| |[[:human_genes:V:VEZT|VEZT]]|-2.80|0.01| |[[:human_genes:R:RHOA|RHOA]]|-2.78|0.01| |[[:human_genes:S:SEPHS1|SEPHS1]]|-2.76|0.01| |[[:human_genes:T:TMEM30A|TMEM30A]]|-2.68|0.01| |[[:human_genes:K:KIAA1432|KIAA1432]]|-2.64|0.02| |[[:human_genes:T:TACC3|TACC3]]|-2.58|0.02| |[[:human_genes:S:SZT2|SZT2]]|-2.38|0.06| |[[:human_genes:W:WDR62|WDR62]]|-2.33|0.08| |[[:human_genes:L:LIN9|LIN9]]|-2.32|0.16| |[[:human_genes:S:SEPSECS|SEPSECS]]|-2.25|0.20| |[[:human_genes:A:ATP8B2|ATP8B2]]|-2.24|0.28| |[[:human_genes:D:DARS2|DARS2]]|-2.22|0.28| |[[:human_genes:M:MYL4|MYL4]]|-2.19|0.16| |[[:human_genes:A:ATP2A2|ATP2A2]]|-2.19|0.39| |[[:human_genes:M:MEF2C|MEF2C]]|-2.17|0.26| |[[:human_genes:T:TMED10|TMED10]]|-2.16|0.26| |[[:human_genes:F:FNTB|FNTB]]|-2.14|0.26| |[[:human_genes:K:KIF18B|KIF18B]]|-2.13|0.20| |[[:human_genes:A:AKAP12|AKAP12]]|-2.13|0.32| |[[:human_genes:A:ARID5A|ARID5A]]|-2.10|0.21| |[[:human_genes:S:SIL1|SIL1]]|-2.09|0.28| |[[:human_genes:K:KIAA1549|KIAA1549]]|-2.09|0.34| |[[:human_genes:N:NAT8L|NAT8L]]|-2.08|0.23| |[[:human_genes:C:C21orf59|C21orf59]]|-2.08|0.34| |[[:human_genes:B:BUB1B|BUB1B]]|-2.04|0.29| |[[:human_genes:W:WDR75|WDR75]]|1.98|0.54| |[[:human_genes:V:VTCN1|VTCN1]]|2.00|0.54| |[[:human_genes:L:LTV1|LTV1]]|2.00|0.63| |[[:human_genes:C:CLASP1|CLASP1]]|2.01|0.50| |[[:human_genes:M:MIER3|MIER3]]|2.02|0.50| |[[:human_genes:A:ANKDD1B|ANKDD1B]]|2.02|0.50| |[[:human_genes:L:LANCL2|LANCL2]]|2.02|0.52| |[[:human_genes:F:FAM189A2|FAM189A2]]|2.03|0.50| |[[:human_genes:U:UBOX5|UBOX5]]|2.03|0.50| |[[:human_genes:P:PSMB2|PSMB2]]|2.04|0.57| |[[:human_genes:A:AGBL1|AGBL1]]|2.05|0.54| |[[:human_genes:M:MED12|MED12]]|2.06|0.54| |[[:human_genes:C:CRISP1|CRISP1]]|2.07|0.50| |[[:human_genes:R:RELT|RELT]]|2.09|0.50| |[[:human_genes:S:SLC5A11|SLC5A11]]|2.10|0.50| |[[:human_genes:G:GLE1|GLE1]]|2.11|0.69| |[[:human_genes:C:CXCR4|CXCR4]]|2.11|0.50| |[[:human_genes:F:FAU|FAU]]|2.13|0.54| |[[:human_genes:M:MYNN|MYNN]]|2.14|0.52| |[[:human_genes:Z:ZNF219|ZNF219]]|2.14|0.52| |[[:human_genes:C:CATSPER3|CATSPER3]]|2.19|0.50| |[[:human_genes:U:UTP20|UTP20]]|2.22|0.57| |[[:human_genes:C:COPA|COPA]]|2.24|0.56| |[[:human_genes:L:LMO3|LMO3]]|2.24|0.50| |[[:human_genes:S:SPATA31A6|SPATA31A6]]|2.28|0.50| |[[:human_genes:P:PRM2|PRM2]]|2.28|0.50| |[[:human_genes:C:COPB2|COPB2]]|2.34|0.54| |[[:human_genes:M:MCM7|MCM7]]|2.55|0.50| |[[:human_genes:C:COPE|COPE]]|2.76|0.57| |[[:human_genes:X:XAB2|XAB2]]|3.13|0.50| </modal> <modal id="modal_screen_similarity" size="lg" title="Correlated Screens"> ^Screen^Correlation^Plot^ |[[:results:exp184|Ixabepilone 0.004 to 0.005μM on day4 R04 exp184]]|0.106|<button type="primary" size="small" modal="1">View</button>| |[[:results:exp231|Epothilone-B 0.0015μM R05 exp231]]|0.083|<button type="primary" size="small" modal="2">View</button>| |[[:results:exp190|Vincristine 0.0005μM R04 exp190]]|0.076|<button type="primary" size="small" modal="3">View</button>| |[[:results:exp232|Epothilone-D 0.004 to 0.006μM on day4 R05 exp232]]|0.074|<button type="primary" size="small" modal="4">View</button>| |[[:results:exp45|Docetaxel 0.002μM R01 exp45]]|0.061|<button type="primary" size="small" modal="5">View</button>| |[[:results:exp103|Taxol 0.004μM R03 exp103]]|0.059|<button type="primary" size="small" modal="6">View</button>| |[[:results:exp107|UMK57 0.6μM R03 exp107]]|0.056|<button type="primary" size="small" modal="7">View</button>| |[[:results:exp243|S-trityl-L-cysteine 0.5μM R05 exp243]]|0.056|<button type="primary" size="small" modal="8">View</button>| |[[:results:exp54|Taxol 0.002μM R01 exp54]]|0.052|<button type="primary" size="small" modal="9">View</button>| |[[:results:exp223|Cabazitaxel 0.001μM R05 exp223]]|0.092|<button type="primary" size="small" modal="10">View</button>| </modal> <modal id="1" size="lg" title="Docetaxel 0.001 to 0.002μM on day4 R04 exp159 vs Ixabepilone 0.004 to 0.005μM on day4 R04 exp184"> {{:chemogenomics:comparison_plots:exp159_vs_exp184.png?nolink |}} </modal> <modal id="2" size="lg" title="Docetaxel 0.001 to 0.002μM on day4 R04 exp159 vs Epothilone-B 0.0015μM R05 exp231"> {{:chemogenomics:comparison_plots:exp159_vs_exp231.png?nolink |}} </modal> <modal id="3" size="lg" title="Docetaxel 0.001 to 0.002μM on day4 R04 exp159 vs Vincristine 0.0005μM R04 exp190"> {{:chemogenomics:comparison_plots:exp159_vs_exp190.png?nolink |}} </modal> <modal id="4" size="lg" title="Docetaxel 0.001 to 0.002μM on day4 R04 exp159 vs Epothilone-D 0.004 to 0.006μM on day4 R05 exp232"> {{:chemogenomics:comparison_plots:exp159_vs_exp232.png?nolink |}} </modal> <modal id="5" size="lg" title="Docetaxel 0.001 to 0.002μM on day4 R04 exp159 vs Docetaxel 0.002μM R01 exp45"> {{:chemogenomics:comparison_plots:exp159_vs_exp45.png?nolink |}} </modal> <modal id="6" size="lg" title="Docetaxel 0.001 to 0.002μM on day4 R04 exp159 vs Taxol 0.004μM R03 exp103"> {{:chemogenomics:comparison_plots:exp103_vs_exp159.png?nolink |}} </modal> <modal id="7" size="lg" title="Docetaxel 0.001 to 0.002μM on day4 R04 exp159 vs UMK57 0.6μM R03 exp107"> {{:chemogenomics:comparison_plots:exp107_vs_exp159.png?nolink |}} </modal> <modal id="8" size="lg" title="Docetaxel 0.001 to 0.002μM on day4 R04 exp159 vs S-trityl-L-cysteine 0.5μM R05 exp243"> {{:chemogenomics:comparison_plots:exp159_vs_exp243.png?nolink |}} </modal> <modal id="9" size="lg" title="Docetaxel 0.001 to 0.002μM on day4 R04 exp159 vs Taxol 0.002μM R01 exp54"> {{:chemogenomics:comparison_plots:exp159_vs_exp54.png?nolink |}} </modal> <modal id="10" size="lg" title="Cabazitaxel 0.001μM R05 exp223 vs Docetaxel 0.001 to 0.002μM on day4 R04 exp159"> {{:chemogenomics:comparison_plots:exp159_vs_exp223.png?nolink |}} </modal> <modal id="modal_go_sensitive" size="lg" title="Top 30 sensitive GO terms">No GO term hits below threshold. (FDR <0.05)</modal> <modal id="modal_go_resistant" size="lg" title="Top 30 resistant GO terms"> ^GO Term^Fold Change^Genes^ |COPI vesicle coat|184.16|COPE,COPB2,COPA| |COPI-coated vesicle membrane|118.39|COPE,COPB2,COPA| |COPI-coated vesicle|78.92|COPE,COPB2,COPA| </modal> Last modified: 2026/01/15 21:36by 127.0.0.1